USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 SER OG : rot 143:sc= 1.31 USER MOD Set 2.1: A 86 LYS NZ :NH3+ -170:sc= 1.92 (180deg=1.78) USER MOD Set 2.2: A 101 THR OG1 : rot 137:sc= 1.37 USER MOD Set 3.1: A 54 SER OG : rot -131:sc=-0.00502 USER MOD Set 3.2: A 67 ASN : amide:sc= 1.16 K(o=1.8,f=-5.1!) USER MOD Set 3.3: A 77 CYS SG : rot 90:sc= 0.605 USER MOD Single : A 33 MET CE :methyl -147:sc= -0.311 (180deg=-1.63!) USER MOD Single : A 42 ASN : amide:sc= -0.495 X(o=-0.5,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.2 K(o=1.2,f=-0.066) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 51 MET CE :methyl -107:sc= -0.184 (180deg=-1.58) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0.999) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 44:sc= 0.802 USER MOD Single : A 65 TYR OH : rot -140:sc= 1.29 USER MOD Single : A 70 THR OG1 : rot 142:sc= 0.963 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -20:sc= 0.252 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -4.61! K(o=-4.6!,f=-0.49) USER MOD Single : A 98 HIS : no HE2:sc= 1 K(o=1,f=-3.7!) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 108 TYR OH : rot 39:sc= 1.28 USER MOD Single : A 113 THR OG1 : rot -58:sc= 1.21 USER MOD Single : A 115 SER OG : rot -57:sc= 0.538 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0127 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.707 5.303 -4.811 1.00 0.00 N ATOM 439 CA ASP A 32 11.327 5.029 -3.429 1.00 0.00 C ATOM 440 C ASP A 32 9.822 4.806 -3.344 1.00 0.00 C ATOM 441 O ASP A 32 9.033 5.623 -3.834 1.00 0.00 O ATOM 442 CB ASP A 32 11.743 6.190 -2.522 1.00 0.00 C ATOM 443 CG ASP A 32 13.227 6.501 -2.606 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.651 7.128 -3.605 1.00 0.00 O ATOM 445 OD2 ASP A 32 13.976 6.123 -1.679 1.00 0.00 O ATOM 0 HA ASP A 32 11.840 4.128 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.174 7.079 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.485 5.950 -1.491 1.00 0.00 H new ATOM 450 N MET A 33 9.434 3.702 -2.718 1.00 0.00 N ATOM 451 CA MET A 33 8.064 3.213 -2.794 1.00 0.00 C ATOM 452 C MET A 33 7.052 4.205 -2.236 1.00 0.00 C ATOM 453 O MET A 33 5.946 4.316 -2.759 1.00 0.00 O ATOM 454 CB MET A 33 7.942 1.880 -2.065 1.00 0.00 C ATOM 455 CG MET A 33 6.763 1.048 -2.525 1.00 0.00 C ATOM 456 SD MET A 33 7.252 -0.632 -2.953 1.00 0.00 S ATOM 457 CE MET A 33 8.542 -0.302 -4.151 1.00 0.00 C ATOM 0 H MET A 33 10.054 3.125 -2.149 1.00 0.00 H new ATOM 0 HA MET A 33 7.833 3.080 -3.851 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.859 1.309 -2.211 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.850 2.067 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.011 1.017 -1.737 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.299 1.523 -3.390 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.547 -1.088 -4.906 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.357 0.660 -4.629 1.00 0.00 H new ATOM 0 HE3 MET A 33 9.508 -0.277 -3.647 1.00 0.00 H new ATOM 467 N ARG A 34 7.419 4.941 -1.193 1.00 0.00 N ATOM 468 CA ARG A 34 6.467 5.843 -0.550 1.00 0.00 C ATOM 469 C ARG A 34 6.200 7.074 -1.419 1.00 0.00 C ATOM 470 O ARG A 34 5.158 7.714 -1.296 1.00 0.00 O ATOM 471 CB ARG A 34 6.943 6.258 0.848 1.00 0.00 C ATOM 472 CG ARG A 34 5.910 7.076 1.605 1.00 0.00 C ATOM 473 CD ARG A 34 6.317 7.344 3.044 1.00 0.00 C ATOM 474 NE ARG A 34 5.314 8.161 3.724 1.00 0.00 N ATOM 475 CZ ARG A 34 5.047 8.111 5.027 1.00 0.00 C ATOM 476 NH1 ARG A 34 5.716 7.286 5.826 1.00 0.00 N ATOM 477 NH2 ARG A 34 4.103 8.893 5.530 1.00 0.00 N ATOM 0 H ARG A 34 8.351 4.933 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 34 5.530 5.299 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.185 5.365 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.862 6.837 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.757 8.025 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.956 6.550 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.442 6.399 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.281 7.852 3.065 1.00 0.00 H new ATOM 0 HE ARG A 34 4.778 8.819 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.443 6.682 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.502 7.257 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.587 9.527 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.892 8.861 6.527 1.00 0.00 H new ATOM 491 N LEU A 35 7.116 7.382 -2.321 1.00 0.00 N ATOM 492 CA LEU A 35 6.948 8.529 -3.210 1.00 0.00 C ATOM 493 C LEU A 35 5.963 8.184 -4.309 1.00 0.00 C ATOM 494 O LEU A 35 5.054 8.959 -4.619 1.00 0.00 O ATOM 495 CB LEU A 35 8.286 8.927 -3.812 1.00 0.00 C ATOM 496 CG LEU A 35 9.416 8.999 -2.797 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.741 9.282 -3.491 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.127 10.058 -1.739 1.00 0.00 C ATOM 0 H LEU A 35 7.981 6.860 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 35 6.561 9.371 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.552 8.210 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.182 9.898 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 35 9.488 8.032 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.538 9.330 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.956 8.485 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.679 10.234 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.949 10.092 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.023 11.032 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.203 9.809 -1.218 1.00 0.00 H new ATOM 510 N GLU A 36 6.139 6.999 -4.876 1.00 0.00 N ATOM 511 CA GLU A 36 5.190 6.476 -5.840 1.00 0.00 C ATOM 512 C GLU A 36 3.882 6.158 -5.132 1.00 0.00 C ATOM 513 O GLU A 36 2.832 6.050 -5.763 1.00 0.00 O ATOM 514 CB GLU A 36 5.746 5.225 -6.520 1.00 0.00 C ATOM 515 CG GLU A 36 6.930 5.504 -7.432 1.00 0.00 C ATOM 516 CD GLU A 36 6.570 6.416 -8.588 1.00 0.00 C ATOM 517 OE1 GLU A 36 5.771 5.998 -9.455 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.084 7.557 -8.638 1.00 0.00 O ATOM 0 H GLU A 36 6.930 6.385 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 36 5.012 7.226 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.048 4.509 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.953 4.755 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.733 5.958 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.314 4.562 -7.823 1.00 0.00 H new ATOM 525 N ALA A 37 3.956 6.029 -3.806 1.00 0.00 N ATOM 526 CA ALA A 37 2.769 5.771 -2.995 1.00 0.00 C ATOM 527 C ALA A 37 1.920 7.030 -2.894 1.00 0.00 C ATOM 528 O ALA A 37 0.699 6.980 -3.061 1.00 0.00 O ATOM 529 CB ALA A 37 3.151 5.269 -1.611 1.00 0.00 C ATOM 0 H ALA A 37 4.823 6.099 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 37 2.184 4.991 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.248 5.085 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.718 4.343 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.761 6.019 -1.107 1.00 0.00 H new ATOM 535 N GLU A 38 2.578 8.159 -2.633 1.00 0.00 N ATOM 536 CA GLU A 38 1.909 9.456 -2.607 1.00 0.00 C ATOM 537 C GLU A 38 1.183 9.695 -3.924 1.00 0.00 C ATOM 538 O GLU A 38 0.062 10.208 -3.948 1.00 0.00 O ATOM 539 CB GLU A 38 2.920 10.583 -2.373 1.00 0.00 C ATOM 540 CG GLU A 38 3.614 10.523 -1.021 1.00 0.00 C ATOM 541 CD GLU A 38 2.649 10.643 0.140 1.00 0.00 C ATOM 542 OE1 GLU A 38 2.057 11.729 0.320 1.00 0.00 O ATOM 543 OE2 GLU A 38 2.480 9.655 0.885 1.00 0.00 O ATOM 0 H GLU A 38 3.578 8.200 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 38 1.189 9.452 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.675 10.549 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.408 11.541 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.159 9.583 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.350 11.324 -0.960 1.00 0.00 H new ATOM 550 N ALA A 39 1.833 9.306 -5.018 1.00 0.00 N ATOM 551 CA ALA A 39 1.246 9.427 -6.347 1.00 0.00 C ATOM 552 C ALA A 39 -0.056 8.637 -6.446 1.00 0.00 C ATOM 553 O ALA A 39 -1.067 9.162 -6.903 1.00 0.00 O ATOM 554 CB ALA A 39 2.236 8.971 -7.408 1.00 0.00 C ATOM 0 H ALA A 39 2.770 8.903 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 39 1.012 10.477 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.782 9.068 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.132 9.589 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.504 7.929 -7.232 1.00 0.00 H new ATOM 560 N VAL A 40 -0.027 7.388 -5.989 1.00 0.00 N ATOM 561 CA VAL A 40 -1.206 6.519 -6.030 1.00 0.00 C ATOM 562 C VAL A 40 -2.367 7.121 -5.240 1.00 0.00 C ATOM 563 O VAL A 40 -3.501 7.152 -5.720 1.00 0.00 O ATOM 564 CB VAL A 40 -0.893 5.109 -5.475 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.151 4.252 -5.417 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.173 4.424 -6.321 1.00 0.00 C ATOM 0 H VAL A 40 0.801 6.951 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.493 6.431 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.512 5.226 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.902 3.267 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.886 4.727 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.567 4.148 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.379 3.434 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.183 4.328 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.086 5.019 -6.308 1.00 0.00 H new ATOM 576 N VAL A 41 -2.069 7.613 -4.040 1.00 0.00 N ATOM 577 CA VAL A 41 -3.085 8.195 -3.165 1.00 0.00 C ATOM 578 C VAL A 41 -3.800 9.364 -3.844 1.00 0.00 C ATOM 579 O VAL A 41 -5.001 9.560 -3.672 1.00 0.00 O ATOM 580 CB VAL A 41 -2.466 8.678 -1.831 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.517 9.315 -0.935 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.790 7.524 -1.109 1.00 0.00 C ATOM 0 H VAL A 41 -1.127 7.620 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.811 7.410 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.717 9.434 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.052 9.644 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.958 10.172 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.296 8.586 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.360 7.882 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.525 6.747 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.000 7.114 -1.738 1.00 0.00 H new ATOM 592 N ASN A 42 -3.058 10.126 -4.631 1.00 0.00 N ATOM 593 CA ASN A 42 -3.613 11.284 -5.325 1.00 0.00 C ATOM 594 C ASN A 42 -4.281 10.863 -6.633 1.00 0.00 C ATOM 595 O ASN A 42 -5.220 11.507 -7.103 1.00 0.00 O ATOM 596 CB ASN A 42 -2.503 12.300 -5.617 1.00 0.00 C ATOM 597 CG ASN A 42 -3.014 13.559 -6.300 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.358 14.102 -7.187 1.00 0.00 O ATOM 599 ND2 ASN A 42 -4.161 14.055 -5.863 1.00 0.00 N ATOM 0 H ASN A 42 -2.066 9.965 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.365 11.741 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.014 12.574 -4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.747 11.832 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.530 14.917 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.676 13.575 -5.125 1.00 0.00 H new ATOM 606 N ASP A 43 -3.799 9.770 -7.203 1.00 0.00 N ATOM 607 CA ASP A 43 -4.230 9.331 -8.526 1.00 0.00 C ATOM 608 C ASP A 43 -5.608 8.669 -8.495 1.00 0.00 C ATOM 609 O ASP A 43 -6.496 9.044 -9.255 1.00 0.00 O ATOM 610 CB ASP A 43 -3.195 8.370 -9.117 1.00 0.00 C ATOM 611 CG ASP A 43 -3.560 7.884 -10.505 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.500 8.690 -11.459 1.00 0.00 O ATOM 613 OD2 ASP A 43 -3.880 6.686 -10.652 1.00 0.00 O ATOM 0 H ASP A 43 -3.103 9.164 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.312 10.216 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.226 8.868 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.086 7.511 -8.455 1.00 0.00 H new ATOM 618 N VAL A 44 -5.794 7.704 -7.602 1.00 0.00 N ATOM 619 CA VAL A 44 -7.032 6.925 -7.579 1.00 0.00 C ATOM 620 C VAL A 44 -7.937 7.304 -6.407 1.00 0.00 C ATOM 621 O VAL A 44 -8.881 6.579 -6.091 1.00 0.00 O ATOM 622 CB VAL A 44 -6.750 5.408 -7.528 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.077 4.940 -8.806 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.899 5.052 -6.318 1.00 0.00 C ATOM 0 H VAL A 44 -5.112 7.442 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.550 7.164 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.707 4.894 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.888 3.868 -8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.727 5.147 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.132 5.468 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.715 3.978 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.948 5.582 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.423 5.341 -5.407 1.00 0.00 H new ATOM 634 N LEU A 45 -7.668 8.452 -5.791 1.00 0.00 N ATOM 635 CA LEU A 45 -8.436 8.903 -4.625 1.00 0.00 C ATOM 636 C LEU A 45 -9.935 8.994 -4.925 1.00 0.00 C ATOM 637 O LEU A 45 -10.763 8.630 -4.091 1.00 0.00 O ATOM 638 CB LEU A 45 -7.932 10.266 -4.145 1.00 0.00 C ATOM 639 CG LEU A 45 -8.613 10.794 -2.881 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.313 9.893 -1.692 1.00 0.00 C ATOM 641 CD2 LEU A 45 -8.180 12.221 -2.596 1.00 0.00 C ATOM 0 H LEU A 45 -6.925 9.090 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.290 8.159 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.860 10.197 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.072 10.992 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.690 10.791 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.807 10.287 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.680 8.887 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.237 9.859 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.675 12.578 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.100 12.252 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.454 12.859 -3.436 1.00 0.00 H new ATOM 653 N PHE A 46 -10.279 9.453 -6.124 1.00 0.00 N ATOM 654 CA PHE A 46 -11.676 9.701 -6.472 1.00 0.00 C ATOM 655 C PHE A 46 -12.444 8.402 -6.720 1.00 0.00 C ATOM 656 O PHE A 46 -13.651 8.421 -6.960 1.00 0.00 O ATOM 657 CB PHE A 46 -11.774 10.618 -7.697 1.00 0.00 C ATOM 658 CG PHE A 46 -11.067 10.104 -8.922 1.00 0.00 C ATOM 659 CD1 PHE A 46 -11.680 9.193 -9.769 1.00 0.00 C ATOM 660 CD2 PHE A 46 -9.793 10.548 -9.234 1.00 0.00 C ATOM 661 CE1 PHE A 46 -11.035 8.733 -10.900 1.00 0.00 C ATOM 662 CE2 PHE A 46 -9.144 10.094 -10.365 1.00 0.00 C ATOM 663 CZ PHE A 46 -9.765 9.184 -11.198 1.00 0.00 C ATOM 0 H PHE A 46 -9.614 9.660 -6.869 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.137 10.198 -5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.826 10.770 -7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.362 11.593 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.675 8.839 -9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.301 11.258 -8.585 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.523 8.022 -11.550 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.151 10.450 -10.598 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.257 8.826 -12.081 1.00 0.00 H new ATOM 673 N ALA A 47 -11.746 7.278 -6.662 1.00 0.00 N ATOM 674 CA ALA A 47 -12.376 5.983 -6.868 1.00 0.00 C ATOM 675 C ALA A 47 -12.797 5.370 -5.539 1.00 0.00 C ATOM 676 O ALA A 47 -13.572 4.413 -5.500 1.00 0.00 O ATOM 677 CB ALA A 47 -11.437 5.048 -7.615 1.00 0.00 C ATOM 0 H ALA A 47 -10.744 7.236 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.271 6.130 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.924 4.084 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.189 5.480 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.524 4.910 -7.035 1.00 0.00 H new ATOM 683 N VAL A 48 -12.291 5.931 -4.448 1.00 0.00 N ATOM 684 CA VAL A 48 -12.587 5.416 -3.118 1.00 0.00 C ATOM 685 C VAL A 48 -13.077 6.528 -2.198 1.00 0.00 C ATOM 686 O VAL A 48 -13.385 7.630 -2.650 1.00 0.00 O ATOM 687 CB VAL A 48 -11.366 4.716 -2.483 1.00 0.00 C ATOM 688 CG1 VAL A 48 -10.918 3.536 -3.332 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.224 5.696 -2.281 1.00 0.00 C ATOM 0 H VAL A 48 -11.674 6.743 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.378 4.675 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.665 4.338 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.057 3.058 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.732 2.816 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.643 3.887 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.376 5.179 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.927 6.112 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.548 6.501 -1.622 1.00 0.00 H new ATOM 699 N ASN A 49 -13.161 6.231 -0.908 1.00 0.00 N ATOM 700 CA ASN A 49 -13.727 7.163 0.055 1.00 0.00 C ATOM 701 C ASN A 49 -12.634 7.937 0.787 1.00 0.00 C ATOM 702 O ASN A 49 -12.795 9.124 1.073 1.00 0.00 O ATOM 703 CB ASN A 49 -14.615 6.403 1.048 1.00 0.00 C ATOM 704 CG ASN A 49 -15.425 7.321 1.938 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.447 7.864 1.517 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.014 7.466 3.186 1.00 0.00 N ATOM 0 H ASN A 49 -12.843 5.350 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.335 7.890 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.292 5.750 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.990 5.762 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.549 8.043 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.162 7.001 3.500 1.00 0.00 H new ATOM 713 N ASN A 50 -11.521 7.264 1.080 1.00 0.00 N ATOM 714 CA ASN A 50 -10.400 7.894 1.783 1.00 0.00 C ATOM 715 C ASN A 50 -9.155 7.008 1.721 1.00 0.00 C ATOM 716 O ASN A 50 -9.214 5.826 2.042 1.00 0.00 O ATOM 717 CB ASN A 50 -10.774 8.157 3.248 1.00 0.00 C ATOM 718 CG ASN A 50 -9.642 8.779 4.044 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.847 9.560 3.520 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.556 8.427 5.316 1.00 0.00 N ATOM 0 H ASN A 50 -11.370 6.284 0.842 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.180 8.842 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.641 8.816 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.068 7.218 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.811 8.806 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.235 7.777 5.712 1.00 0.00 H new ATOM 727 N MET A 51 -8.030 7.574 1.302 1.00 0.00 N ATOM 728 CA MET A 51 -6.773 6.832 1.266 1.00 0.00 C ATOM 729 C MET A 51 -5.743 7.490 2.170 1.00 0.00 C ATOM 730 O MET A 51 -5.668 8.718 2.247 1.00 0.00 O ATOM 731 CB MET A 51 -6.221 6.730 -0.158 1.00 0.00 C ATOM 732 CG MET A 51 -7.093 5.921 -1.103 1.00 0.00 C ATOM 733 SD MET A 51 -6.298 5.605 -2.688 1.00 0.00 S ATOM 734 CE MET A 51 -4.949 4.550 -2.169 1.00 0.00 C ATOM 0 H MET A 51 -7.961 8.540 0.983 1.00 0.00 H new ATOM 0 HA MET A 51 -6.978 5.823 1.625 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.100 7.735 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.229 6.280 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.346 4.971 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.029 6.453 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.012 5.105 -2.220 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.119 4.219 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.893 3.682 -2.826 1.00 0.00 H new ATOM 744 N PHE A 52 -4.953 6.671 2.849 1.00 0.00 N ATOM 745 CA PHE A 52 -3.972 7.162 3.806 1.00 0.00 C ATOM 746 C PHE A 52 -2.840 6.148 3.986 1.00 0.00 C ATOM 747 O PHE A 52 -3.077 5.008 4.381 1.00 0.00 O ATOM 748 CB PHE A 52 -4.665 7.436 5.147 1.00 0.00 C ATOM 749 CG PHE A 52 -3.751 7.906 6.241 1.00 0.00 C ATOM 750 CD1 PHE A 52 -3.251 9.196 6.238 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.404 7.060 7.281 1.00 0.00 C ATOM 752 CE1 PHE A 52 -2.417 9.631 7.250 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.574 7.491 8.295 1.00 0.00 C ATOM 754 CZ PHE A 52 -2.080 8.778 8.281 1.00 0.00 C ATOM 0 H PHE A 52 -4.973 5.656 2.754 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.537 8.088 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.441 8.186 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.164 6.524 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.515 9.870 5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.788 6.051 7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.029 10.639 7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.311 6.820 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.431 9.118 9.075 1.00 0.00 H new ATOM 764 N VAL A 53 -1.612 6.561 3.687 1.00 0.00 N ATOM 765 CA VAL A 53 -0.450 5.696 3.875 1.00 0.00 C ATOM 766 C VAL A 53 -0.264 5.396 5.364 1.00 0.00 C ATOM 767 O VAL A 53 -0.485 6.262 6.209 1.00 0.00 O ATOM 768 CB VAL A 53 0.835 6.319 3.267 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.110 7.699 3.841 1.00 0.00 C ATOM 770 CG2 VAL A 53 2.036 5.404 3.469 1.00 0.00 C ATOM 0 H VAL A 53 -1.395 7.486 3.315 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.631 4.761 3.344 1.00 0.00 H new ATOM 0 HB VAL A 53 0.667 6.431 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.017 8.105 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.270 8.358 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.240 7.625 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.922 5.865 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.197 5.245 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.850 4.446 2.983 1.00 0.00 H new ATOM 780 N SER A 54 0.124 4.163 5.672 1.00 0.00 N ATOM 781 CA SER A 54 0.162 3.678 7.047 1.00 0.00 C ATOM 782 C SER A 54 1.140 4.459 7.914 1.00 0.00 C ATOM 783 O SER A 54 2.081 5.081 7.420 1.00 0.00 O ATOM 784 CB SER A 54 0.529 2.199 7.070 1.00 0.00 C ATOM 785 OG SER A 54 -0.338 1.450 6.235 1.00 0.00 O ATOM 0 H SER A 54 0.420 3.475 4.980 1.00 0.00 H new ATOM 0 HA SER A 54 -0.835 3.823 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.560 2.071 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.473 1.822 8.091 1.00 0.00 H new ATOM 0 HG SER A 54 -0.667 0.667 6.724 1.00 0.00 H new ATOM 791 N LYS A 55 0.908 4.395 9.216 1.00 0.00 N ATOM 792 CA LYS A 55 1.697 5.143 10.179 1.00 0.00 C ATOM 793 C LYS A 55 2.138 4.262 11.344 1.00 0.00 C ATOM 794 O LYS A 55 2.910 4.695 12.196 1.00 0.00 O ATOM 795 CB LYS A 55 0.874 6.319 10.706 1.00 0.00 C ATOM 796 CG LYS A 55 -0.548 5.929 11.081 1.00 0.00 C ATOM 797 CD LYS A 55 -1.313 7.082 11.702 1.00 0.00 C ATOM 798 CE LYS A 55 -2.791 6.753 11.844 1.00 0.00 C ATOM 799 NZ LYS A 55 -3.016 5.479 12.578 1.00 0.00 N ATOM 0 H LYS A 55 0.171 3.826 9.632 1.00 0.00 H new ATOM 0 HA LYS A 55 2.592 5.508 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.371 6.741 11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.842 7.102 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.075 5.583 10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.521 5.094 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.894 7.313 12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.194 7.973 11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.293 7.566 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.243 6.685 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.022 5.396 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.742 4.678 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.441 5.472 13.445 1.00 0.00 H new ATOM 813 N SER A 56 1.647 3.025 11.386 1.00 0.00 N ATOM 814 CA SER A 56 1.954 2.133 12.497 1.00 0.00 C ATOM 815 C SER A 56 2.855 0.989 12.055 1.00 0.00 C ATOM 816 O SER A 56 3.119 0.060 12.818 1.00 0.00 O ATOM 817 CB SER A 56 0.664 1.583 13.094 1.00 0.00 C ATOM 818 OG SER A 56 -0.170 2.638 13.552 1.00 0.00 O ATOM 0 H SER A 56 1.041 2.623 10.671 1.00 0.00 H new ATOM 0 HA SER A 56 2.487 2.707 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.134 0.993 12.346 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.898 0.913 13.921 1.00 0.00 H new ATOM 0 HG SER A 56 -0.993 2.264 13.930 1.00 0.00 H new ATOM 824 N LEU A 57 3.328 1.062 10.823 1.00 0.00 N ATOM 825 CA LEU A 57 4.195 0.041 10.289 1.00 0.00 C ATOM 826 C LEU A 57 5.497 0.684 9.853 1.00 0.00 C ATOM 827 O LEU A 57 5.887 1.726 10.379 1.00 0.00 O ATOM 828 CB LEU A 57 3.525 -0.688 9.117 1.00 0.00 C ATOM 829 CG LEU A 57 2.183 -1.355 9.437 1.00 0.00 C ATOM 830 CD1 LEU A 57 1.046 -0.352 9.356 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.922 -2.510 8.495 1.00 0.00 C ATOM 0 H LEU A 57 3.122 1.823 10.176 1.00 0.00 H new ATOM 0 HA LEU A 57 4.398 -0.703 11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.373 0.025 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.210 -1.450 8.746 1.00 0.00 H new ATOM 0 HG LEU A 57 2.236 -1.738 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.104 -0.850 9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.217 0.451 10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.999 0.064 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.964 -2.970 8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.897 -2.144 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.716 -3.250 8.597 1.00 0.00 H new ATOM 843 N ARG A 58 6.158 0.081 8.894 1.00 0.00 N ATOM 844 CA ARG A 58 7.449 0.578 8.454 1.00 0.00 C ATOM 845 C ARG A 58 7.421 0.878 6.961 1.00 0.00 C ATOM 846 O ARG A 58 6.759 0.181 6.186 1.00 0.00 O ATOM 847 CB ARG A 58 8.557 -0.434 8.777 1.00 0.00 C ATOM 848 CG ARG A 58 8.608 -1.622 7.832 1.00 0.00 C ATOM 849 CD ARG A 58 9.646 -2.642 8.266 1.00 0.00 C ATOM 850 NE ARG A 58 10.065 -3.494 7.157 1.00 0.00 N ATOM 851 CZ ARG A 58 9.535 -4.684 6.878 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.561 -5.190 7.629 1.00 0.00 N ATOM 853 NH2 ARG A 58 9.985 -5.375 5.842 1.00 0.00 N ATOM 0 H ARG A 58 5.830 -0.750 8.403 1.00 0.00 H new ATOM 0 HA ARG A 58 7.663 1.503 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.519 0.077 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.416 -0.799 9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.627 -2.096 7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.838 -1.276 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.514 -2.126 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.236 -3.260 9.065 1.00 0.00 H new ATOM 0 HE ARG A 58 10.815 -3.155 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.210 -4.666 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.165 -6.102 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.734 -4.996 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.583 -6.287 5.624 1.00 0.00 H new ATOM 867 N CYS A 59 8.111 1.931 6.566 1.00 0.00 N ATOM 868 CA CYS A 59 8.260 2.255 5.161 1.00 0.00 C ATOM 869 C CYS A 59 9.730 2.461 4.833 1.00 0.00 C ATOM 870 O CYS A 59 10.294 3.522 5.088 1.00 0.00 O ATOM 871 CB CYS A 59 7.436 3.495 4.792 1.00 0.00 C ATOM 872 SG CYS A 59 7.773 4.952 5.808 1.00 0.00 S ATOM 0 H CYS A 59 8.578 2.578 7.201 1.00 0.00 H new ATOM 0 HA CYS A 59 7.882 1.422 4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.626 3.744 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.377 3.249 4.873 1.00 0.00 H new ATOM 0 HG CYS A 59 9.056 5.080 5.970 1.00 0.00 H new ATOM 878 N ALA A 60 10.353 1.422 4.299 1.00 0.00 N ATOM 879 CA ALA A 60 11.762 1.483 3.933 1.00 0.00 C ATOM 880 C ALA A 60 11.901 1.772 2.446 1.00 0.00 C ATOM 881 O ALA A 60 12.997 1.734 1.888 1.00 0.00 O ATOM 882 CB ALA A 60 12.463 0.183 4.302 1.00 0.00 C ATOM 0 H ALA A 60 9.906 0.525 4.109 1.00 0.00 H new ATOM 0 HA ALA A 60 12.238 2.292 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.515 0.245 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.382 0.018 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.994 -0.646 3.772 1.00 0.00 H new ATOM 888 N ASP A 61 10.754 2.030 1.818 1.00 0.00 N ATOM 889 CA ASP A 61 10.671 2.400 0.405 1.00 0.00 C ATOM 890 C ASP A 61 10.995 1.238 -0.522 1.00 0.00 C ATOM 891 O ASP A 61 10.978 1.388 -1.742 1.00 0.00 O ATOM 892 CB ASP A 61 11.534 3.621 0.091 1.00 0.00 C ATOM 893 CG ASP A 61 10.901 4.895 0.607 1.00 0.00 C ATOM 894 OD1 ASP A 61 9.847 5.292 0.063 1.00 0.00 O ATOM 895 OD2 ASP A 61 11.435 5.484 1.573 1.00 0.00 O ATOM 0 H ASP A 61 9.846 1.988 2.281 1.00 0.00 H new ATOM 0 HA ASP A 61 9.632 2.671 0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.520 3.496 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.681 3.697 -0.986 1.00 0.00 H new ATOM 900 N ASP A 62 11.285 0.085 0.053 1.00 0.00 N ATOM 901 CA ASP A 62 11.245 -1.160 -0.696 1.00 0.00 C ATOM 902 C ASP A 62 9.873 -1.772 -0.471 1.00 0.00 C ATOM 903 O ASP A 62 9.429 -2.663 -1.192 1.00 0.00 O ATOM 904 CB ASP A 62 12.350 -2.124 -0.242 1.00 0.00 C ATOM 905 CG ASP A 62 12.059 -2.783 1.095 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.863 -2.057 2.092 1.00 0.00 O ATOM 907 OD2 ASP A 62 12.047 -4.033 1.157 1.00 0.00 O ATOM 0 H ASP A 62 11.550 -0.016 1.033 1.00 0.00 H new ATOM 0 HA ASP A 62 11.417 -0.968 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.482 -2.897 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.292 -1.580 -0.174 1.00 0.00 H new ATOM 912 N VAL A 63 9.226 -1.273 0.573 1.00 0.00 N ATOM 913 CA VAL A 63 7.868 -1.645 0.924 1.00 0.00 C ATOM 914 C VAL A 63 7.143 -0.424 1.492 1.00 0.00 C ATOM 915 O VAL A 63 7.739 0.368 2.233 1.00 0.00 O ATOM 916 CB VAL A 63 7.837 -2.811 1.946 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.560 -2.442 3.236 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.406 -3.234 2.243 1.00 0.00 C ATOM 0 H VAL A 63 9.638 -0.589 1.207 1.00 0.00 H new ATOM 0 HA VAL A 63 7.363 -1.991 0.022 1.00 0.00 H new ATOM 0 HB VAL A 63 8.362 -3.653 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.519 -3.282 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.601 -2.205 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.078 -1.575 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.411 -4.053 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.856 -2.390 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.925 -3.563 1.322 1.00 0.00 H new ATOM 928 N ALA A 64 5.884 -0.248 1.125 1.00 0.00 N ATOM 929 CA ALA A 64 5.079 0.841 1.662 1.00 0.00 C ATOM 930 C ALA A 64 3.644 0.388 1.874 1.00 0.00 C ATOM 931 O ALA A 64 2.960 0.008 0.930 1.00 0.00 O ATOM 932 CB ALA A 64 5.125 2.050 0.738 1.00 0.00 C ATOM 0 H ALA A 64 5.396 -0.845 0.457 1.00 0.00 H new ATOM 0 HA ALA A 64 5.496 1.131 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.517 2.852 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.155 2.391 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.735 1.774 -0.242 1.00 0.00 H new ATOM 938 N TYR A 65 3.193 0.415 3.115 1.00 0.00 N ATOM 939 CA TYR A 65 1.836 0.005 3.430 1.00 0.00 C ATOM 940 C TYR A 65 0.878 1.179 3.276 1.00 0.00 C ATOM 941 O TYR A 65 1.055 2.220 3.907 1.00 0.00 O ATOM 942 CB TYR A 65 1.764 -0.551 4.852 1.00 0.00 C ATOM 943 CG TYR A 65 2.581 -1.805 5.061 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.915 -1.735 5.448 1.00 0.00 C ATOM 945 CD2 TYR A 65 2.018 -3.059 4.878 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.663 -2.881 5.639 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.758 -4.208 5.067 1.00 0.00 C ATOM 948 CZ TYR A 65 4.079 -4.114 5.450 1.00 0.00 C ATOM 949 OH TYR A 65 4.819 -5.255 5.636 1.00 0.00 O ATOM 0 H TYR A 65 3.744 0.715 3.919 1.00 0.00 H new ATOM 0 HA TYR A 65 1.542 -0.780 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.106 0.214 5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.723 -0.762 5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.374 -0.769 5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.982 -3.138 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.699 -2.810 5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.305 -5.176 4.916 1.00 0.00 H new ATOM 0 HH TYR A 65 4.589 -5.911 4.945 1.00 0.00 H new ATOM 959 N ILE A 66 -0.133 1.010 2.442 1.00 0.00 N ATOM 960 CA ILE A 66 -1.111 2.060 2.201 1.00 0.00 C ATOM 961 C ILE A 66 -2.497 1.588 2.609 1.00 0.00 C ATOM 962 O ILE A 66 -2.899 0.478 2.281 1.00 0.00 O ATOM 963 CB ILE A 66 -1.150 2.472 0.713 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.241 2.879 0.229 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.139 3.614 0.502 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.288 3.208 -1.246 1.00 0.00 C ATOM 0 H ILE A 66 -0.300 0.151 1.917 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.813 2.922 2.797 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.480 1.613 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.577 3.746 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.941 2.070 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.154 3.892 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.135 3.294 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.835 4.473 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.304 3.489 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.018 2.336 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.388 4.037 -1.456 1.00 0.00 H new ATOM 978 N ASN A 67 -3.224 2.430 3.320 1.00 0.00 N ATOM 979 CA ASN A 67 -4.587 2.109 3.709 1.00 0.00 C ATOM 980 C ASN A 67 -5.555 2.744 2.730 1.00 0.00 C ATOM 981 O ASN A 67 -5.404 3.914 2.368 1.00 0.00 O ATOM 982 CB ASN A 67 -4.897 2.608 5.124 1.00 0.00 C ATOM 983 CG ASN A 67 -3.940 2.072 6.165 1.00 0.00 C ATOM 984 OD1 ASN A 67 -4.141 0.993 6.716 1.00 0.00 O ATOM 985 ND2 ASN A 67 -2.905 2.838 6.464 1.00 0.00 N ATOM 0 H ASN A 67 -2.895 3.341 3.640 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.696 1.025 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.863 3.697 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.914 2.319 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.238 2.539 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.773 3.728 5.983 1.00 0.00 H new ATOM 992 N VAL A 68 -6.539 1.980 2.299 1.00 0.00 N ATOM 993 CA VAL A 68 -7.509 2.467 1.340 1.00 0.00 C ATOM 994 C VAL A 68 -8.926 2.101 1.761 1.00 0.00 C ATOM 995 O VAL A 68 -9.297 0.929 1.835 1.00 0.00 O ATOM 996 CB VAL A 68 -7.214 1.944 -0.092 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.091 0.426 -0.124 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.281 2.406 -1.073 1.00 0.00 C ATOM 0 H VAL A 68 -6.688 1.017 2.599 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.425 3.554 1.321 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.255 2.365 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.885 0.099 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.277 0.113 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.024 -0.022 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.050 2.026 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.254 2.028 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.305 3.495 -1.098 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.699 3.119 2.076 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.107 2.952 2.363 1.00 0.00 C ATOM 1010 C GLU A 69 -11.892 3.230 1.095 1.00 0.00 C ATOM 1011 O GLU A 69 -11.949 4.366 0.623 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.550 3.892 3.486 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.033 3.791 3.813 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.472 4.810 4.843 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.226 6.015 4.633 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.058 4.414 5.872 1.00 0.00 O ATOM 0 H GLU A 69 -9.370 4.082 2.140 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.293 1.932 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.972 3.671 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.318 4.919 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.613 3.929 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.253 2.789 4.182 1.00 0.00 H new ATOM 1023 N THR A 70 -12.459 2.186 0.528 1.00 0.00 N ATOM 1024 CA THR A 70 -13.192 2.295 -0.718 1.00 0.00 C ATOM 1025 C THR A 70 -14.537 2.980 -0.490 1.00 0.00 C ATOM 1026 O THR A 70 -14.898 3.280 0.649 1.00 0.00 O ATOM 1027 CB THR A 70 -13.407 0.905 -1.337 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.294 0.131 -0.522 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.081 0.171 -1.479 1.00 0.00 C ATOM 0 H THR A 70 -12.426 1.243 0.914 1.00 0.00 H new ATOM 0 HA THR A 70 -12.605 2.900 -1.409 1.00 0.00 H new ATOM 0 HB THR A 70 -13.847 1.038 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.882 -0.404 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.254 -0.811 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.415 0.745 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.623 0.053 -0.497 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.290 3.224 -1.558 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.589 3.874 -1.419 1.00 0.00 C ATOM 1039 C LYS A 71 -17.620 2.896 -0.872 1.00 0.00 C ATOM 1040 O LYS A 71 -18.780 3.243 -0.669 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.055 4.478 -2.744 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.164 5.608 -3.220 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.812 6.431 -4.317 1.00 0.00 C ATOM 1044 CE LYS A 71 -15.902 7.573 -4.733 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.589 8.552 -5.613 1.00 0.00 N ATOM 0 H LYS A 71 -15.029 2.986 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.481 4.692 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.082 3.697 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.074 4.848 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.922 6.256 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.223 5.196 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.026 5.797 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.766 6.827 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.534 8.084 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.032 7.170 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.927 9.312 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.917 8.073 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.404 8.958 -5.111 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.176 1.674 -0.624 1.00 0.00 N ATOM 1060 CA GLU A 72 -17.990 0.688 0.066 1.00 0.00 C ATOM 1061 C GLU A 72 -17.759 0.820 1.572 1.00 0.00 C ATOM 1062 O GLU A 72 -18.307 0.061 2.371 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.643 -0.733 -0.399 1.00 0.00 C ATOM 1064 CG GLU A 72 -17.880 -0.991 -1.886 1.00 0.00 C ATOM 1065 CD GLU A 72 -16.904 -0.257 -2.788 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -15.690 -0.539 -2.706 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -17.346 0.615 -3.566 1.00 0.00 O ATOM 0 H GLU A 72 -16.250 1.341 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.040 0.868 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.595 -0.930 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.233 -1.444 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.806 -2.061 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.896 -0.691 -2.142 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.909 1.788 1.926 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.582 2.116 3.319 1.00 0.00 C ATOM 1076 C ARG A 73 -15.817 0.997 4.014 1.00 0.00 C ATOM 1077 O ARG A 73 -15.757 0.948 5.245 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.831 2.477 4.129 1.00 0.00 C ATOM 1079 CG ARG A 73 -18.410 3.839 3.792 1.00 0.00 C ATOM 1080 CD ARG A 73 -19.400 4.287 4.856 1.00 0.00 C ATOM 1081 NE ARG A 73 -18.785 4.326 6.186 1.00 0.00 N ATOM 1082 CZ ARG A 73 -19.350 4.886 7.255 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -20.546 5.455 7.163 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -18.718 4.866 8.425 1.00 0.00 N ATOM 0 H ARG A 73 -16.422 2.373 1.247 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.933 2.991 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.594 1.717 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.584 2.451 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.606 4.570 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.906 3.798 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.784 5.275 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.253 3.608 4.869 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.867 3.897 6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.038 5.465 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.972 5.882 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.803 4.423 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.149 5.294 9.245 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.212 0.119 3.233 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.375 -0.933 3.786 1.00 0.00 C ATOM 1100 C ASN A 74 -12.920 -0.500 3.747 1.00 0.00 C ATOM 1101 O ASN A 74 -12.445 0.013 2.732 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.561 -2.248 3.024 1.00 0.00 C ATOM 1103 CG ASN A 74 -15.805 -3.004 3.454 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -15.763 -3.820 4.377 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -16.922 -2.747 2.789 1.00 0.00 N ATOM 0 H ASN A 74 -15.284 0.113 2.216 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.674 -1.105 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.619 -2.039 1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.686 -2.879 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.785 -3.231 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.919 -2.065 2.031 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.217 -0.693 4.853 1.00 0.00 N ATOM 1113 CA ARG A 75 -10.834 -0.261 4.946 1.00 0.00 C ATOM 1114 C ARG A 75 -9.909 -1.420 4.630 1.00 0.00 C ATOM 1115 O ARG A 75 -9.825 -2.380 5.394 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.514 0.268 6.347 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.564 1.206 6.920 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.091 1.809 8.234 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.187 2.377 9.018 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.484 3.679 9.059 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -11.836 4.540 8.280 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.447 4.117 9.863 1.00 0.00 N ATOM 0 H ARG A 75 -12.580 -1.143 5.693 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.684 0.543 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.393 -0.579 7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.557 0.789 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.776 2.001 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.496 0.663 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.588 1.041 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.355 2.586 8.029 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.761 1.739 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.108 4.207 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.067 5.533 8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.960 3.459 10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.673 5.111 9.894 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.231 -1.340 3.506 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.277 -2.364 3.131 1.00 0.00 C ATOM 1138 C TYR A 76 -6.863 -1.827 3.246 1.00 0.00 C ATOM 1139 O TYR A 76 -6.542 -0.777 2.696 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.538 -2.857 1.704 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.888 -3.515 1.528 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.122 -4.801 2.002 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.932 -2.848 0.898 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.356 -5.403 1.848 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -12.168 -3.444 0.743 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.376 -4.720 1.222 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.608 -5.316 1.078 1.00 0.00 O ATOM 0 H TYR A 76 -9.322 -0.577 2.835 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.395 -3.207 3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.462 -2.014 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.758 -3.566 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.327 -5.338 2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.774 -1.847 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.520 -6.405 2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.968 -2.913 0.249 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.217 -4.702 0.617 1.00 0.00 H new ATOM 1157 N CYS A 77 -6.026 -2.526 3.984 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.632 -2.144 4.091 1.00 0.00 C ATOM 1159 C CYS A 77 -3.823 -2.961 3.091 1.00 0.00 C ATOM 1160 O CYS A 77 -3.987 -4.183 2.994 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.125 -2.351 5.519 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.544 -1.543 5.873 1.00 0.00 S ATOM 0 H CYS A 77 -6.284 -3.357 4.516 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.519 -1.085 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.875 -1.977 6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.023 -3.420 5.704 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.761 -0.340 6.315 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.979 -2.286 2.332 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.237 -2.924 1.262 1.00 0.00 C ATOM 1170 C LEU A 78 -0.735 -2.769 1.459 1.00 0.00 C ATOM 1171 O LEU A 78 -0.247 -1.701 1.824 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.639 -2.321 -0.086 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.125 -2.423 -0.431 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.419 -1.683 -1.723 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.549 -3.881 -0.548 1.00 0.00 C ATOM 0 H LEU A 78 -2.790 -1.289 2.439 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.478 -3.987 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.352 -1.269 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.066 -2.814 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.697 -1.961 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.481 -1.765 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.152 -0.632 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.836 -2.120 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.610 -3.933 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.970 -4.366 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.371 -4.389 0.400 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.014 -3.848 1.209 1.00 0.00 N ATOM 1188 CA GLU A 79 1.436 -3.840 1.220 1.00 0.00 C ATOM 1189 C GLU A 79 1.937 -3.600 -0.193 1.00 0.00 C ATOM 1190 O GLU A 79 1.901 -4.498 -1.038 1.00 0.00 O ATOM 1191 CB GLU A 79 1.973 -5.174 1.751 1.00 0.00 C ATOM 1192 CG GLU A 79 3.489 -5.291 1.737 1.00 0.00 C ATOM 1193 CD GLU A 79 3.971 -6.628 2.266 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.854 -7.636 1.541 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.471 -6.678 3.412 1.00 0.00 O ATOM 0 H GLU A 79 -0.421 -4.758 0.992 1.00 0.00 H new ATOM 0 HA GLU A 79 1.790 -3.045 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.619 -5.313 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.553 -5.984 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.852 -5.154 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.918 -4.489 2.338 1.00 0.00 H new ATOM 1202 N LEU A 80 2.345 -2.374 -0.463 1.00 0.00 N ATOM 1203 CA LEU A 80 2.887 -2.025 -1.762 1.00 0.00 C ATOM 1204 C LEU A 80 4.348 -2.429 -1.833 1.00 0.00 C ATOM 1205 O LEU A 80 5.178 -1.931 -1.070 1.00 0.00 O ATOM 1206 CB LEU A 80 2.731 -0.521 -2.026 1.00 0.00 C ATOM 1207 CG LEU A 80 3.336 -0.012 -3.339 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.703 -0.705 -4.536 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.176 1.497 -3.450 1.00 0.00 C ATOM 0 H LEU A 80 2.311 -1.602 0.202 1.00 0.00 H new ATOM 0 HA LEU A 80 2.333 -2.563 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.669 -0.277 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.189 0.024 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 80 4.400 -0.249 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.150 -0.325 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.873 -1.779 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.631 -0.508 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.611 1.841 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.117 1.753 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.685 1.979 -2.616 1.00 0.00 H new ATOM 1221 N THR A 81 4.643 -3.363 -2.719 1.00 0.00 N ATOM 1222 CA THR A 81 6.005 -3.800 -2.953 1.00 0.00 C ATOM 1223 C THR A 81 6.314 -3.713 -4.440 1.00 0.00 C ATOM 1224 O THR A 81 5.442 -3.367 -5.237 1.00 0.00 O ATOM 1225 CB THR A 81 6.228 -5.251 -2.477 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.317 -6.132 -3.150 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.037 -5.371 -0.974 1.00 0.00 C ATOM 0 H THR A 81 3.947 -3.838 -3.294 1.00 0.00 H new ATOM 0 HA THR A 81 6.668 -3.148 -2.384 1.00 0.00 H new ATOM 0 HB THR A 81 7.254 -5.531 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.567 -5.614 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.200 -6.404 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.751 -4.724 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.023 -5.071 -0.711 1.00 0.00 H new ATOM 1235 N GLU A 82 7.538 -4.048 -4.818 1.00 0.00 N ATOM 1236 CA GLU A 82 7.912 -4.054 -6.223 1.00 0.00 C ATOM 1237 C GLU A 82 7.299 -5.276 -6.908 1.00 0.00 C ATOM 1238 O GLU A 82 7.313 -5.398 -8.132 1.00 0.00 O ATOM 1239 CB GLU A 82 9.438 -4.056 -6.363 1.00 0.00 C ATOM 1240 CG GLU A 82 9.926 -3.715 -7.761 1.00 0.00 C ATOM 1241 CD GLU A 82 11.435 -3.697 -7.861 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.045 -2.652 -7.552 1.00 0.00 O ATOM 1243 OE2 GLU A 82 12.019 -4.732 -8.244 1.00 0.00 O ATOM 0 H GLU A 82 8.284 -4.317 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 82 7.530 -3.154 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.859 -3.341 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.818 -5.039 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.527 -4.442 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.535 -2.740 -8.051 1.00 0.00 H new ATOM 1250 N ALA A 83 6.747 -6.178 -6.101 1.00 0.00 N ATOM 1251 CA ALA A 83 6.107 -7.381 -6.611 1.00 0.00 C ATOM 1252 C ALA A 83 4.612 -7.155 -6.821 1.00 0.00 C ATOM 1253 O ALA A 83 3.937 -7.964 -7.460 1.00 0.00 O ATOM 1254 CB ALA A 83 6.337 -8.544 -5.661 1.00 0.00 C ATOM 0 H ALA A 83 6.732 -6.095 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 83 6.554 -7.622 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.853 -9.437 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.407 -8.726 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.917 -8.305 -4.684 1.00 0.00 H new ATOM 1260 N GLY A 84 4.096 -6.062 -6.272 1.00 0.00 N ATOM 1261 CA GLY A 84 2.694 -5.738 -6.444 1.00 0.00 C ATOM 1262 C GLY A 84 2.035 -5.282 -5.155 1.00 0.00 C ATOM 1263 O GLY A 84 2.718 -4.973 -4.177 1.00 0.00 O ATOM 0 H GLY A 84 4.624 -5.394 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.596 -4.953 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.168 -6.612 -6.827 1.00 0.00 H new ATOM 1267 N LEU A 85 0.706 -5.247 -5.159 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.062 -4.813 -3.997 1.00 0.00 C ATOM 1269 C LEU A 85 -0.771 -6.000 -3.360 1.00 0.00 C ATOM 1270 O LEU A 85 -1.610 -6.646 -3.993 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.100 -3.745 -4.379 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.542 -2.384 -4.822 1.00 0.00 C ATOM 1273 CD1 LEU A 85 0.018 -2.449 -6.236 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.620 -1.313 -4.726 1.00 0.00 C ATOM 0 H LEU A 85 0.135 -5.516 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 85 0.638 -4.377 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.718 -4.141 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.757 -3.584 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 85 0.276 -2.122 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.405 -1.470 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.823 -3.183 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.773 -2.741 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.210 -0.354 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.457 -1.581 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.966 -1.236 -3.695 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.437 -6.276 -2.108 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.992 -7.415 -1.385 1.00 0.00 C ATOM 1288 C LYS A 86 -1.875 -6.948 -0.237 1.00 0.00 C ATOM 1289 O LYS A 86 -1.571 -5.961 0.419 1.00 0.00 O ATOM 1290 CB LYS A 86 0.150 -8.280 -0.838 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.294 -9.349 0.149 1.00 0.00 C ATOM 1292 CD LYS A 86 0.897 -10.043 0.790 1.00 0.00 C ATOM 1293 CE LYS A 86 0.477 -10.900 1.976 1.00 0.00 C ATOM 1294 NZ LYS A 86 -0.405 -12.031 1.574 1.00 0.00 N ATOM 0 H LYS A 86 0.224 -5.720 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.601 -8.001 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.658 -8.762 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.880 -7.633 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.913 -8.896 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.913 -10.085 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.397 -10.667 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.620 -9.296 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.366 -11.293 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.043 -10.278 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.800 -12.482 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.180 -11.673 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.148 -12.729 1.037 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.971 -7.652 -0.001 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.836 -7.343 1.132 1.00 0.00 C ATOM 1310 C VAL A 87 -3.182 -7.823 2.428 1.00 0.00 C ATOM 1311 O VAL A 87 -2.803 -8.988 2.538 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.228 -7.999 0.984 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.145 -7.586 2.125 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.851 -7.646 -0.358 1.00 0.00 C ATOM 0 H VAL A 87 -3.283 -8.437 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.973 -6.262 1.160 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.097 -9.080 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.118 -8.060 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.709 -7.899 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.266 -6.503 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.830 -8.118 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.963 -6.564 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.208 -8.002 -1.163 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.036 -6.925 3.394 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.401 -7.266 4.667 1.00 0.00 C ATOM 1326 C VAL A 88 -3.419 -7.385 5.796 1.00 0.00 C ATOM 1327 O VAL A 88 -3.190 -8.105 6.767 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.313 -6.244 5.049 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.150 -6.324 4.079 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.863 -4.833 5.102 1.00 0.00 C ATOM 0 H VAL A 88 -3.347 -5.956 3.324 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.931 -8.239 4.527 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.959 -6.496 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.610 -5.596 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.279 -7.326 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.502 -6.108 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.066 -4.142 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.261 -4.561 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.659 -4.780 5.845 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.545 -6.699 5.667 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.562 -6.763 6.695 1.00 0.00 C ATOM 1342 C GLY A 89 -6.814 -6.005 6.318 1.00 0.00 C ATOM 1343 O GLY A 89 -6.826 -5.263 5.334 1.00 0.00 O ATOM 0 H GLY A 89 -4.772 -6.102 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.816 -7.806 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.161 -6.357 7.624 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.865 -6.190 7.108 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.144 -5.535 6.859 1.00 0.00 C ATOM 1349 C TYR A 90 -9.325 -4.347 7.795 1.00 0.00 C ATOM 1350 O TYR A 90 -10.448 -3.905 8.042 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.307 -6.510 7.065 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.310 -7.700 6.132 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.810 -7.593 4.841 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.835 -8.936 6.550 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.833 -8.681 3.992 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.851 -10.030 5.707 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.352 -9.897 4.429 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.379 -10.987 3.586 1.00 0.00 O ATOM 0 H TYR A 90 -7.856 -6.792 7.931 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.143 -5.191 5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.281 -6.872 8.093 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.244 -5.967 6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.187 -6.642 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.446 -9.044 7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.226 -8.580 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.474 -10.983 6.046 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.003 -11.766 4.046 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.222 -3.837 8.319 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.275 -2.723 9.248 1.00 0.00 C ATOM 1370 C ALA A 91 -7.166 -1.722 8.960 1.00 0.00 C ATOM 1371 O ALA A 91 -6.215 -2.019 8.238 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.188 -3.222 10.683 1.00 0.00 C ATOM 0 H ALA A 91 -7.282 -4.177 8.117 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.230 -2.215 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.229 -2.374 11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.023 -3.893 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.249 -3.758 10.826 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.304 -0.538 9.536 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.347 0.543 9.345 1.00 0.00 C ATOM 1380 C PHE A 92 -5.057 0.246 10.111 1.00 0.00 C ATOM 1381 O PHE A 92 -5.093 0.017 11.324 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.968 1.850 9.842 1.00 0.00 C ATOM 1383 CG PHE A 92 -6.851 3.000 8.880 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.515 2.978 7.661 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -6.088 4.109 9.202 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -7.421 4.044 6.787 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -5.994 5.179 8.333 1.00 0.00 C ATOM 1388 CZ PHE A 92 -6.658 5.145 7.124 1.00 0.00 C ATOM 0 H PHE A 92 -8.083 -0.298 10.150 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.104 0.634 8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.023 1.678 10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.493 2.129 10.782 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.111 2.118 7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.560 4.138 10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.943 4.016 5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.401 6.041 8.600 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.581 5.979 6.442 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.929 0.250 9.392 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.614 -0.055 9.973 1.00 0.00 C ATOM 1400 C ASP A 93 -2.559 -1.498 10.470 1.00 0.00 C ATOM 1401 O ASP A 93 -1.892 -1.801 11.463 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.269 0.892 11.136 1.00 0.00 C ATOM 1403 CG ASP A 93 -1.926 2.310 10.705 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -0.846 2.516 10.104 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -2.710 3.235 11.019 1.00 0.00 O ATOM 0 H ASP A 93 -3.900 0.464 8.395 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.880 0.086 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.114 0.928 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.426 0.478 11.689 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.240 -2.396 9.770 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.335 -3.779 10.212 1.00 0.00 C ATOM 1412 C GLN A 94 -2.818 -4.757 9.159 1.00 0.00 C ATOM 1413 O GLN A 94 -3.243 -4.725 8.007 1.00 0.00 O ATOM 1414 CB GLN A 94 -4.788 -4.122 10.558 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.000 -5.568 10.991 1.00 0.00 C ATOM 1416 CD GLN A 94 -4.541 -5.851 12.411 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -5.066 -6.744 13.074 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -3.580 -5.086 12.902 1.00 0.00 N ATOM 0 H GLN A 94 -3.731 -2.193 8.900 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.707 -3.879 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.126 -3.462 11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.415 -3.918 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.059 -5.813 10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.464 -6.226 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.166 -4.354 12.325 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.253 -5.228 13.858 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.895 -5.621 9.573 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.451 -6.732 8.744 1.00 0.00 C ATOM 1429 C VAL A 95 -1.348 -7.997 9.584 1.00 0.00 C ATOM 1430 O VAL A 95 -0.897 -7.953 10.731 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.090 -6.463 8.051 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.934 -5.958 9.039 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.441 -7.719 7.366 1.00 0.00 C ATOM 0 H VAL A 95 -1.439 -5.570 10.484 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.197 -6.855 7.958 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.262 -5.696 7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.878 -5.778 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.581 -5.028 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.083 -6.702 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.396 -7.497 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.579 -8.507 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.272 -8.051 6.612 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.801 -9.105 9.027 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.670 -10.394 9.678 1.00 0.00 C ATOM 1445 C ASP A 96 -0.518 -11.171 9.050 1.00 0.00 C ATOM 1446 O ASP A 96 -0.372 -11.193 7.828 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.971 -11.183 9.566 1.00 0.00 C ATOM 1448 CG ASP A 96 -2.900 -12.508 10.290 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -3.241 -12.554 11.488 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -2.505 -13.510 9.662 1.00 0.00 O ATOM 0 H ASP A 96 -2.266 -9.137 8.120 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.458 -10.238 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.789 -10.591 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.199 -11.357 8.514 1.00 0.00 H new ATOM 1455 N ASP A 97 0.293 -11.805 9.888 1.00 0.00 N ATOM 1456 CA ASP A 97 1.508 -12.473 9.430 1.00 0.00 C ATOM 1457 C ASP A 97 1.195 -13.675 8.548 1.00 0.00 C ATOM 1458 O ASP A 97 1.949 -13.995 7.628 1.00 0.00 O ATOM 1459 CB ASP A 97 2.373 -12.910 10.624 1.00 0.00 C ATOM 1460 CG ASP A 97 1.660 -13.860 11.574 1.00 0.00 C ATOM 1461 OD1 ASP A 97 1.549 -15.062 11.260 1.00 0.00 O ATOM 1462 OD2 ASP A 97 1.213 -13.409 12.651 1.00 0.00 O ATOM 0 H ASP A 97 0.131 -11.871 10.893 1.00 0.00 H new ATOM 0 HA ASP A 97 2.064 -11.752 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.276 -13.392 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.689 -12.025 11.177 1.00 0.00 H new ATOM 1467 N HIS A 98 0.089 -14.338 8.822 1.00 0.00 N ATOM 1468 CA HIS A 98 -0.252 -15.556 8.107 1.00 0.00 C ATOM 1469 C HIS A 98 -1.399 -15.328 7.130 1.00 0.00 C ATOM 1470 O HIS A 98 -2.037 -16.275 6.674 1.00 0.00 O ATOM 1471 CB HIS A 98 -0.557 -16.701 9.083 1.00 0.00 C ATOM 1472 CG HIS A 98 -1.519 -16.365 10.182 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -1.120 -15.797 11.373 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -2.858 -16.535 10.279 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -2.170 -15.633 12.154 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -3.239 -16.072 11.516 1.00 0.00 N ATOM 0 H HIS A 98 -0.588 -14.057 9.531 1.00 0.00 H new ATOM 0 HA HIS A 98 0.616 -15.849 7.517 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.957 -17.542 8.517 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.379 -17.034 9.531 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.162 -15.543 11.613 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -3.507 -16.956 9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.157 -15.211 13.148 1.00 0.00 H new ATOM 1485 N LEU A 99 -1.651 -14.067 6.803 1.00 0.00 N ATOM 1486 CA LEU A 99 -2.642 -13.743 5.793 1.00 0.00 C ATOM 1487 C LEU A 99 -2.057 -13.936 4.401 1.00 0.00 C ATOM 1488 O LEU A 99 -1.248 -13.133 3.933 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.155 -12.312 5.950 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.630 -12.198 6.342 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.038 -10.742 6.461 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.506 -12.906 5.326 1.00 0.00 C ATOM 0 H LEU A 99 -1.186 -13.260 7.220 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.486 -14.420 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.553 -11.806 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.001 -11.781 5.011 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.764 -12.677 7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.090 -10.681 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.431 -10.255 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.887 -10.242 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.551 -12.815 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.365 -12.453 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.232 -13.960 5.281 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.478 -15.001 3.743 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.975 -15.339 2.416 1.00 0.00 C ATOM 1506 C GLN A 100 -2.866 -14.735 1.337 1.00 0.00 C ATOM 1507 O GLN A 100 -2.966 -15.258 0.229 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.880 -16.856 2.258 1.00 0.00 C ATOM 1509 CG GLN A 100 -3.181 -17.592 2.519 1.00 0.00 C ATOM 1510 CD GLN A 100 -3.003 -19.094 2.509 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -2.139 -19.627 1.815 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -3.821 -19.787 3.278 1.00 0.00 N ATOM 0 H GLN A 100 -3.172 -15.654 4.106 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.976 -14.919 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.543 -17.084 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.119 -17.234 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.584 -17.283 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.913 -17.310 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.524 -19.306 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.750 -20.804 3.312 1.00 0.00 H new ATOM 1521 N THR A 101 -3.498 -13.621 1.680 1.00 0.00 N ATOM 1522 CA THR A 101 -4.326 -12.870 0.755 1.00 0.00 C ATOM 1523 C THR A 101 -3.553 -12.511 -0.512 1.00 0.00 C ATOM 1524 O THR A 101 -2.397 -12.077 -0.443 1.00 0.00 O ATOM 1525 CB THR A 101 -4.826 -11.596 1.446 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.983 -11.323 2.574 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.269 -11.747 1.907 1.00 0.00 C ATOM 0 H THR A 101 -3.448 -13.213 2.614 1.00 0.00 H new ATOM 0 HA THR A 101 -5.174 -13.489 0.463 1.00 0.00 H new ATOM 0 HB THR A 101 -4.788 -10.771 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.776 -10.365 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.594 -10.827 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.907 -11.947 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.341 -12.575 2.612 1.00 0.00 H new ATOM 1535 N PRO A 102 -4.183 -12.704 -1.683 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.539 -12.501 -2.985 1.00 0.00 C ATOM 1537 C PRO A 102 -3.048 -11.073 -3.200 1.00 0.00 C ATOM 1538 O PRO A 102 -3.405 -10.150 -2.462 1.00 0.00 O ATOM 1539 CB PRO A 102 -4.641 -12.835 -3.997 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.628 -13.656 -3.241 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.582 -13.150 -1.830 1.00 0.00 C ATOM 0 HA PRO A 102 -2.647 -13.120 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.102 -11.929 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.241 -13.385 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.628 -13.551 -3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.372 -14.715 -3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.285 -12.332 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.834 -13.931 -1.113 1.00 0.00 H new ATOM 1549 N TYR A 103 -2.226 -10.908 -4.225 1.00 0.00 N ATOM 1550 CA TYR A 103 -1.688 -9.609 -4.587 1.00 0.00 C ATOM 1551 C TYR A 103 -1.804 -9.391 -6.087 1.00 0.00 C ATOM 1552 O TYR A 103 -1.794 -10.350 -6.860 1.00 0.00 O ATOM 1553 CB TYR A 103 -0.227 -9.472 -4.135 1.00 0.00 C ATOM 1554 CG TYR A 103 0.543 -10.778 -4.074 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.046 -11.377 -5.222 1.00 0.00 C ATOM 1556 CD2 TYR A 103 0.767 -11.404 -2.854 1.00 0.00 C ATOM 1557 CE1 TYR A 103 1.751 -12.566 -5.152 1.00 0.00 C ATOM 1558 CE2 TYR A 103 1.471 -12.589 -2.778 1.00 0.00 C ATOM 1559 CZ TYR A 103 1.959 -13.166 -3.928 1.00 0.00 C ATOM 1560 OH TYR A 103 2.660 -14.348 -3.849 1.00 0.00 O ATOM 0 H TYR A 103 -1.915 -11.670 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.271 -8.844 -4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.288 -8.794 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.208 -9.008 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.885 -10.909 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.384 -10.956 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.136 -13.022 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.638 -13.061 -1.821 1.00 0.00 H new ATOM 0 HH TYR A 103 2.716 -14.633 -2.913 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.926 -8.136 -6.492 1.00 0.00 N ATOM 1571 CA HIS A 104 -2.054 -7.803 -7.905 1.00 0.00 C ATOM 1572 C HIS A 104 -0.899 -6.945 -8.386 1.00 0.00 C ATOM 1573 O HIS A 104 -0.057 -6.515 -7.598 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.374 -7.090 -8.192 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.436 -8.003 -8.719 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.518 -8.379 -10.045 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.463 -8.622 -8.091 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.552 -9.186 -10.207 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -6.141 -9.349 -9.038 1.00 0.00 N ATOM 0 H HIS A 104 -1.939 -7.332 -5.865 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.036 -8.747 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.731 -6.619 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.199 -6.292 -8.914 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.881 -8.081 -10.783 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.704 -8.556 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.862 -9.636 -11.139 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.892 -6.700 -9.687 1.00 0.00 N ATOM 1589 CA GLU A 105 0.170 -5.971 -10.358 1.00 0.00 C ATOM 1590 C GLU A 105 0.195 -4.517 -9.909 1.00 0.00 C ATOM 1591 O GLU A 105 1.162 -4.052 -9.299 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.035 -6.022 -11.881 1.00 0.00 C ATOM 1593 CG GLU A 105 -0.181 -7.426 -12.466 1.00 0.00 C ATOM 1594 CD GLU A 105 -1.479 -8.124 -12.084 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -2.464 -7.433 -11.719 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -1.517 -9.368 -12.126 1.00 0.00 O ATOM 0 H GLU A 105 -1.635 -7.007 -10.314 1.00 0.00 H new ATOM 0 HA GLU A 105 1.118 -6.441 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.925 -5.446 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.810 -5.530 -12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.120 -7.364 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.659 -8.036 -12.134 1.00 0.00 H new ATOM 1603 N THR A 106 -0.878 -3.808 -10.218 1.00 0.00 N ATOM 1604 CA THR A 106 -0.982 -2.394 -9.915 1.00 0.00 C ATOM 1605 C THR A 106 -2.215 -2.132 -9.059 1.00 0.00 C ATOM 1606 O THR A 106 -2.990 -3.052 -8.782 1.00 0.00 O ATOM 1607 CB THR A 106 -1.072 -1.559 -11.208 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.190 -1.996 -11.998 1.00 0.00 O ATOM 1609 CG2 THR A 106 0.206 -1.684 -12.025 1.00 0.00 C ATOM 0 H THR A 106 -1.698 -4.197 -10.684 1.00 0.00 H new ATOM 0 HA THR A 106 -0.086 -2.099 -9.368 1.00 0.00 H new ATOM 0 HB THR A 106 -1.207 -0.514 -10.929 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.241 -1.460 -12.817 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.118 -1.086 -12.932 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.051 -1.327 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.366 -2.728 -12.293 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.397 -0.886 -8.639 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.585 -0.510 -7.886 1.00 0.00 C ATOM 1619 C VAL A 107 -4.814 -0.578 -8.788 1.00 0.00 C ATOM 1620 O VAL A 107 -5.929 -0.811 -8.324 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.451 0.907 -7.276 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.396 1.977 -8.358 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.584 1.183 -6.300 1.00 0.00 C ATOM 0 H VAL A 107 -1.741 -0.123 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.697 -1.216 -7.063 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.509 0.944 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.302 2.959 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.537 1.797 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.310 1.942 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.470 2.184 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.539 1.114 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.557 0.449 -5.494 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.585 -0.415 -10.087 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.657 -0.433 -11.069 1.00 0.00 C ATOM 1635 C TYR A 108 -6.280 -1.820 -11.161 1.00 0.00 C ATOM 1636 O TYR A 108 -7.476 -1.984 -10.932 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.133 -0.003 -12.443 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.529 1.382 -12.462 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.335 2.513 -12.485 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.152 1.557 -12.463 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.786 3.780 -12.508 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.594 2.819 -12.484 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.415 3.928 -12.507 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.865 5.190 -12.530 1.00 0.00 O ATOM 0 H TYR A 108 -3.657 -0.268 -10.484 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.423 0.273 -10.747 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.383 -0.720 -12.776 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.952 -0.042 -13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.409 2.400 -12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.507 0.691 -12.447 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.426 4.649 -12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.521 2.938 -12.482 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.398 5.789 -11.966 1.00 0.00 H new ATOM 1654 N SER A 109 -5.455 -2.824 -11.450 1.00 0.00 N ATOM 1655 CA SER A 109 -5.945 -4.184 -11.642 1.00 0.00 C ATOM 1656 C SER A 109 -6.387 -4.810 -10.317 1.00 0.00 C ATOM 1657 O SER A 109 -6.930 -5.913 -10.289 1.00 0.00 O ATOM 1658 CB SER A 109 -4.872 -5.047 -12.316 1.00 0.00 C ATOM 1659 OG SER A 109 -3.644 -4.999 -11.605 1.00 0.00 O ATOM 0 H SER A 109 -4.446 -2.720 -11.556 1.00 0.00 H new ATOM 0 HA SER A 109 -6.818 -4.138 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.218 -6.079 -12.377 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.716 -4.703 -13.338 1.00 0.00 H new ATOM 0 HG SER A 109 -3.219 -5.882 -11.627 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.138 -4.108 -9.221 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.575 -4.563 -7.912 1.00 0.00 C ATOM 1667 C LEU A 110 -7.899 -3.914 -7.523 1.00 0.00 C ATOM 1668 O LEU A 110 -8.870 -4.610 -7.231 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.509 -4.247 -6.863 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.881 -4.630 -5.435 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.943 -6.142 -5.279 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.895 -4.029 -4.447 1.00 0.00 C ATOM 0 H LEU A 110 -5.635 -3.221 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.723 -5.642 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.588 -4.764 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.296 -3.179 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.871 -4.227 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.210 -6.391 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.693 -6.547 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.970 -6.572 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.177 -4.313 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.893 -4.399 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.907 -2.943 -4.536 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.941 -2.584 -7.536 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.138 -1.845 -7.140 1.00 0.00 C ATOM 1686 C LEU A 111 -10.287 -2.170 -8.094 1.00 0.00 C ATOM 1687 O LEU A 111 -11.464 -2.097 -7.730 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.845 -0.341 -7.146 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.826 0.528 -6.354 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.757 0.201 -4.869 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.530 2.003 -6.583 1.00 0.00 C ATOM 0 H LEU A 111 -7.158 -1.994 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.428 -2.140 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.843 -0.183 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.834 0.005 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.835 0.314 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.462 0.830 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.012 -0.847 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.747 0.386 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.235 2.608 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.514 2.225 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.628 2.233 -7.644 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.915 -2.567 -9.307 1.00 0.00 N ATOM 1704 CA ASP A 112 -10.871 -2.977 -10.341 1.00 0.00 C ATOM 1705 C ASP A 112 -11.646 -4.216 -9.907 1.00 0.00 C ATOM 1706 O ASP A 112 -12.812 -4.392 -10.260 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.126 -3.269 -11.653 1.00 0.00 C ATOM 1708 CG ASP A 112 -10.999 -3.906 -12.721 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -11.599 -3.166 -13.528 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.059 -5.156 -12.783 1.00 0.00 O ATOM 0 H ASP A 112 -8.941 -2.615 -9.605 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.579 -2.162 -10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.713 -2.338 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.284 -3.928 -11.444 1.00 0.00 H new ATOM 1715 N THR A 113 -10.996 -5.057 -9.119 1.00 0.00 N ATOM 1716 CA THR A 113 -11.586 -6.318 -8.695 1.00 0.00 C ATOM 1717 C THR A 113 -12.332 -6.153 -7.375 1.00 0.00 C ATOM 1718 O THR A 113 -12.942 -7.094 -6.868 1.00 0.00 O ATOM 1719 CB THR A 113 -10.501 -7.407 -8.533 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.629 -7.099 -7.434 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.677 -7.541 -9.801 1.00 0.00 C ATOM 0 H THR A 113 -10.057 -4.889 -8.759 1.00 0.00 H new ATOM 0 HA THR A 113 -12.290 -6.626 -9.468 1.00 0.00 H new ATOM 0 HB THR A 113 -11.010 -8.350 -8.334 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.216 -6.222 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.920 -8.313 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.328 -7.815 -10.631 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.190 -6.591 -10.021 1.00 0.00 H new ATOM 1729 N LEU A 114 -12.280 -4.949 -6.821 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.801 -4.708 -5.486 1.00 0.00 C ATOM 1731 C LEU A 114 -13.986 -3.748 -5.497 1.00 0.00 C ATOM 1732 O LEU A 114 -15.090 -4.110 -5.089 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.684 -4.161 -4.592 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.472 -5.087 -4.445 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.341 -4.385 -3.710 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.861 -6.366 -3.716 1.00 0.00 C ATOM 0 H LEU A 114 -11.883 -4.127 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.161 -5.658 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.348 -3.206 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.094 -3.961 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.123 -5.348 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.492 -5.062 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.039 -3.498 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.680 -4.091 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.987 -7.011 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.239 -6.119 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.636 -6.885 -4.280 1.00 0.00 H new ATOM 1748 N SER A 115 -13.763 -2.532 -5.979 1.00 0.00 N ATOM 1749 CA SER A 115 -14.751 -1.473 -5.854 1.00 0.00 C ATOM 1750 C SER A 115 -15.565 -1.282 -7.127 1.00 0.00 C ATOM 1751 O SER A 115 -15.026 -0.957 -8.186 1.00 0.00 O ATOM 1752 CB SER A 115 -14.061 -0.161 -5.481 1.00 0.00 C ATOM 1753 OG SER A 115 -13.412 -0.283 -4.234 1.00 0.00 O ATOM 0 H SER A 115 -12.906 -2.257 -6.460 1.00 0.00 H new ATOM 0 HA SER A 115 -15.444 -1.769 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.337 0.108 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.795 0.644 -5.439 1.00 0.00 H new ATOM 0 HG SER A 115 -14.064 -0.545 -3.550 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.886 -1.475 -7.026 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.820 -1.146 -8.103 1.00 0.00 C ATOM 1761 C PRO A 116 -17.772 0.342 -8.444 1.00 0.00 C ATOM 1762 O PRO A 116 -17.957 0.734 -9.595 1.00 0.00 O ATOM 1763 CB PRO A 116 -19.193 -1.516 -7.531 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.915 -2.435 -6.391 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.566 -2.050 -5.856 1.00 0.00 C ATOM 0 HA PRO A 116 -17.585 -1.675 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.731 -0.629 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -19.814 -2.001 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.680 -2.340 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -18.920 -3.474 -6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.647 -1.328 -5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.029 -2.913 -5.463 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.491 1.166 -7.433 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.397 2.610 -7.618 1.00 0.00 C ATOM 1775 C ALA A 117 -16.226 2.961 -8.527 1.00 0.00 C ATOM 1776 O ALA A 117 -16.279 3.935 -9.280 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.251 3.303 -6.271 1.00 0.00 C ATOM 0 H ALA A 117 -17.325 0.854 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.314 2.958 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.182 4.380 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.118 3.078 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.348 2.947 -5.775 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.178 2.145 -8.466 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.001 2.337 -9.302 1.00 0.00 C ATOM 1785 C TYR A 118 -14.371 2.245 -10.776 1.00 0.00 C ATOM 1786 O TYR A 118 -13.848 2.987 -11.601 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.937 1.290 -8.965 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.750 1.296 -9.909 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.757 2.262 -9.809 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.628 0.332 -10.903 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.677 2.268 -10.671 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.550 0.332 -11.768 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.578 1.302 -11.647 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.500 1.305 -12.504 1.00 0.00 O ATOM 0 H TYR A 118 -15.122 1.340 -7.842 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.598 3.330 -9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.582 1.461 -7.949 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.396 0.301 -8.980 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.830 3.021 -9.045 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.388 -0.429 -11.001 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.914 3.027 -10.580 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.470 -0.424 -12.535 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.580 0.558 -13.133 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.279 1.331 -11.090 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.731 1.129 -12.462 1.00 0.00 C ATOM 1806 C ARG A 119 -16.343 2.411 -13.016 1.00 0.00 C ATOM 1807 O ARG A 119 -16.014 2.844 -14.122 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.759 -0.005 -12.511 1.00 0.00 C ATOM 1809 CG ARG A 119 -16.325 -1.245 -11.746 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.118 -1.916 -12.381 1.00 0.00 C ATOM 1811 NE ARG A 119 -15.466 -2.597 -13.628 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.070 -3.831 -13.928 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -14.295 -4.504 -13.085 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -15.450 -4.399 -15.067 1.00 0.00 N ATOM 0 H ARG A 119 -15.720 0.713 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.872 0.860 -13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.704 0.353 -12.102 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.943 -0.274 -13.551 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -16.088 -0.971 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -17.153 -1.953 -11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -14.349 -1.169 -12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.692 -2.635 -11.681 1.00 0.00 H new ATOM 0 HE ARG A 119 -16.044 -2.098 -14.305 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.003 -4.075 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.992 -5.450 -13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -16.048 -3.889 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.143 -5.345 -15.292 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.211 3.025 -12.222 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.877 4.259 -12.616 1.00 0.00 C ATOM 1830 C GLU A 120 -16.887 5.424 -12.650 1.00 0.00 C ATOM 1831 O GLU A 120 -16.895 6.238 -13.575 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.015 4.572 -11.642 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.023 3.440 -11.498 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.707 3.094 -12.804 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -21.587 3.865 -13.241 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.368 2.054 -13.405 1.00 0.00 O ATOM 0 H GLU A 120 -17.471 2.686 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.286 4.124 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.592 4.798 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.534 5.469 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.516 2.555 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.776 3.722 -10.762 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.028 5.488 -11.638 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.035 6.551 -11.533 1.00 0.00 C ATOM 1845 C ALA A 121 -14.030 6.483 -12.678 1.00 0.00 C ATOM 1846 O ALA A 121 -13.601 7.510 -13.204 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.317 6.472 -10.194 1.00 0.00 C ATOM 0 H ALA A 121 -16.000 4.812 -10.875 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.556 7.506 -11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -13.579 7.271 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.041 6.580 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -13.816 5.508 -10.106 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.659 5.267 -13.060 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.723 5.060 -14.155 1.00 0.00 C ATOM 1855 C PHE A 122 -13.354 5.490 -15.474 1.00 0.00 C ATOM 1856 O PHE A 122 -12.711 6.142 -16.297 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.301 3.588 -14.215 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.228 3.295 -15.225 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -9.914 3.664 -14.985 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.531 2.646 -16.410 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.923 3.389 -15.908 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.546 2.369 -17.338 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.240 2.741 -17.087 1.00 0.00 C ATOM 0 H PHE A 122 -13.994 4.407 -12.625 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.835 5.669 -13.982 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.950 3.282 -13.230 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.176 2.980 -14.445 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.662 4.172 -14.066 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.551 2.353 -16.611 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -7.902 3.680 -15.708 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.797 1.862 -18.258 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.468 2.526 -17.811 1.00 0.00 H new